CID 135468
1,4-bis((2-(dimethylamino)ethyl)amino)-5,8-dihydroxyanthracene-9,10-dione
Structural Information
- Molecular Formula
- C22H28N4O4
- SMILES
- CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O
- InChI
- InChI=1S/C22H28N4O4/c1-25(2)11-9-23-13-5-6-14(24-10-12-26(3)4)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3
- InChIKey
- DBAMBJQJKDHEQX-UHFFFAOYSA-N
- Compound name
- 1,4-bis[2-(dimethylamino)ethylamino]-5,8-dihydroxyanthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 413.21834 | 197.5 |
[M+Na]+ | 435.20028 | 202.8 |
[M-H]- | 411.20378 | 202.7 |
[M+NH4]+ | 430.24488 | 209.3 |
[M+K]+ | 451.17422 | 200.5 |
[M+H-H2O]+ | 395.20832 | 188.8 |
[M+HCOO]- | 457.20926 | 218.4 |
[M+CH3COO]- | 471.22491 | 244.3 |
[M+Na-2H]- | 433.18573 | 199.3 |
[M]+ | 412.21051 | 201.0 |
[M]- | 412.21161 | 201.0 |